Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(CSC2=NN=C(N2C2=CC=C(F)C=C2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=YABADACEAZDYFO-UHFFFAOYSA-N
Formula
C21H15FN4O2S
Mass
406.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
-
Level 5
Phenyltriazoles
-
Subclass
Triazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Alkylarylthioethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organofluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Halobenzene - Fluorobenzene - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organohalogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available